{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.033272 0 0.811771 ] [ 0.966728 0 0.188229 ] [ 0.190797 0.5 0.138069 ] [ 0.865558 0.5 0.510009 ] [ 0.134442 0.5 0.489991 ] [ 0.809203 0.5 0.861931 ] [ 0.533272 0.5 0.811771 ] [ 0.466728 0.5 0.188229 ] [ 0.690797 0 0.138069 ] [ 0.365558 0 0.510009 ] [ 0.634442 0 0.489991 ] [ 0.309203 0 0.861931 ] [ 0.870815 0 0.714175 ] [ 0.824531 0 0.026349 ] [ 0.026091 0.5 0.655929 ] [ 0.201742 0 0.626974 ] [ 0.129185 0 0.285825 ] [ 0 0.5 0 ] [ 0.973909 0.5 0.344071 ] [ 0.175469 0 0.973651 ] [ 0.798258 0 0.373026 ] [ 0.370815 0.5 0.714175 ] [ 0.324531 0.5 0.026349 ] [ 0.526091 0 0.655929 ] [ 0.701742 0.5 0.626974 ] [ 0.629185 0.5 0.285825 ] [ 0.5 0 0 ] [ 0.473909 0 0.344071 ] [ 0.675469 0.5 0.973651 ] [ 0.298258 0.5 0.373026 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.6664646707 "source-unit" "angstrom" } "b" { "source-value" 3.74268186 "source-unit" "angstrom" } "c" { "source-value" 9.13814519834 "source-unit" "angstrom" } "beta" { "source-value" 100.169799218 "source-unit" "degree" } }